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88933-47-5 | 3-Thiomorpholinecarboxylic acid, 5-oxo-, octyl ester, (R)-
CAS No: 88933-47-5 Catalog No: AG00480H MDL No:
Product Description
Catalog Number:
AG00480H
Chemical Name:
3-Thiomorpholinecarboxylic acid, 5-oxo-, octyl ester, (R)-
CAS Number:
88933-47-5
Molecular Formula:
C13H23NO3S
Molecular Weight:
273.3916
IUPAC Name:
octyl 5-oxothiomorpholine-3-carboxylate
InChI:
InChI=1S/C13H23NO3S/c1-2-3-4-5-6-7-8-17-13(16)11-9-18-10-12(15)14-11/h11H,2-10H2,1H3,(H,14,15)
InChI Key:
WMXNFVWQFLNWKT-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)[C@@H]1CSCC(=O)N1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.391g/mol
Monoisotopic Mass:
273.14g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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